SCHEMBL29636829

SCHEMBL29636829

COc1cc2c(Cl)ccnc2cc1OCCCN1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 14/20 0.76
EHMT1 Q9H9B1 13/20 0.76
DNMT1 P26358 1/20 0.60
EGFR P00533 3/20 0.59
FGFR2 P21802 1/20 0.57
SPIN1 Q9Y657 2/20 0.56
FGFR1 P11362 1/20 0.55
FLT1 P17948 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8526894 1.00 EHMT2 (0.76) EHMT2EHMT1DNMT1EGFRFGFR2
SCHEMBL2748129 0.99 EHMT2 (0.74) EHMT2EHMT1DNMT1EGFRFGFR2
Hydrochloric Acid SCHEMBL6433786 0.99 EHMT2 (0.74) EHMT2EHMT1DNMT1EGFRFGFR2
SCHEMBL2746706 0.94 EHMT2 (0.67) EHMT2EHMT1DNMT1EGFRFGFR1
SCHEMBL2152700 0.92 EHMT2 (0.64) EHMT2EHMT1EGFRFGFR1FLT1
SCHEMBL903068 0.90 EGFR (0.64) EHMT2EHMT1EGFRFGFR1FLT1
SCHEMBL2152791 0.90 EHMT2 (0.62) EHMT2EHMT1EGFR
SCHEMBL5097860 0.90 EGFR (0.64) EHMT2EHMT1EGFRFGFR1FLT1
Hydrochloric Acid SCHEMBL6432089 0.89 EGFR (0.62) EHMT2EHMT1EGFRFGFR1FLT1
SCHEMBL16707263 0.86 EHMT2 (0.56) EHMT2EHMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed